1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O2S/c1-2-32-26-19-24(13-14-25(26)33-21-22-9-4-3-5-10-22)29(31-17-8-15-30-16-18-31)28-20-23-11-6-7-12-27(23)34-28/h3-7,9-14,19-20,29-30H,2,8,15-18,21H2,1H3